ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C10H11F3N2O2S — CID 7174220

IUPACethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC2CC2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-2-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5-3-4-5/h5H,2-4H2,1H3,(H,14,15)
InChIKeyYXMGLTSCVAQYJX-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 7174220) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID7174220
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Nameethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC2CC2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-2-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5-3-4-5/h5H,2-4H2,1H3,(H,14,15)
InChIKeyYXMGLTSCVAQYJX-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 7174220) is ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC2CC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is YXMGLTSCVAQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-2-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5-3-4-5/h5H,2-4H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 280.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7174220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).